Chemical Properties of 4-Methoxy-2-(1-propenyl)-phenyl isobutyrate

InChI

InChI=1S/C14H18O3/c1-5-6-11-9-12(16-4)7-8-13(11)17-14(15)10(2)3/h5-10H,1-4H3/b6-5-

InChI Key

HVYCNLFVRHNHQR-WAYWQWQTSA-N

Formula

C14H18O3

SMILES

C/C=C\c1cc(OC)ccc1OC(=O)C(C)C

Molecular Weight¹

234.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.52	kJ/mol	Joback Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.290		Crippen Calculated Property
McVol	193.370	ml/mol	McGowan Calculated Property
I	[2462.00; 2462.00]
I	2462.00		NIST
I	2462.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.74; 613.56]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.99000e+01
Coefficient B			1.04388e+00
Coefficient C			-5.16320e-04
Coefficient D			6.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.74	J/mol×K	273.00	Calculated Property
Cp,gas	327.51	J/mol×K	353.78	Calculated Property
Cp,gas	381.45	J/mol×K	434.56	Calculated Property
Cp,gas	429.77	J/mol×K	515.33	Calculated Property
Cp,gas	472.70	J/mol×K	596.11	Calculated Property
Cp,gas	510.42	J/mol×K	676.89	Calculated Property
Cp,gas	543.16	J/mol×K	757.67	Calculated Property
Cp,gas	571.13	J/mol×K	838.44	Calculated Property
Cp,gas	594.52	J/mol×K	919.22	Calculated Property
Cp,gas	613.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014034; 0.0001075]	Pa×s	[343.48; 595.37]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.26404e+01
Coefficient B			2.08545e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			343.48
Temperature range, max.			595.37
η	0.0014034	Pa×s	343.48	Calculated Property
η	0.0008882	Pa×s	371.47	Calculated Property
η	0.0005993	Pa×s	399.46	Calculated Property
η	0.0004258	Pa×s	427.44	Calculated Property
η	0.0003155	Pa×s	455.43	Calculated Property
η	0.0002420	Pa×s	483.42	Calculated Property
η	0.0001911	Pa×s	511.41	Calculated Property
η	0.0001547	Pa×s	539.40	Calculated Property
η	0.0001278	Pa×s	567.38	Calculated Property
η	0.0001075	Pa×s	595.37	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxy-2-(1-propenyl)-phenyl isobutyrate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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